4-(cycloheptylamino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrile hydrate

Systemtic Name: 4-(cycloheptylamino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrile hydrate Openeye Name: 4-(cycloheptylamino)-6-(3-pyridylmethylamino)-1,7-naphthyridine-3-carbonitrile hydrate CAS Name: 4-(cycloheptylamino)-6-(3-pyridinylmethylamino)-1,7-naphthyridine-3-carbonitrile hydrate IUPAC Name: 4-(cycloheptylamino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrile hydrate Traditional Name: 4-(cycloheptylamino)-6-(3-pyridylmethylamino)-1,7-naphthyridine-3-carbonitrile hydrate Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C=NC3=CN=C(C=C32)NCC4=CN=CC=C4)C#N.O

Isomeric SMILES

C1CCCC(CC1)NC2=C(C=NC3=CN=C(C=C32)NCC4=CN=CC=C4)C#N.O

InChI

InChI=1S/C22H24N6.H2O/c23-11-17-14-25-20-15-27-21(26-13-16-6-5-9-24-12-16)10-19(20)22(17)28-18-7-3-1-2-4-8-18;/h5-6,9-10,12,14-15,18H,1-4,7-8,13H2,(H,25,28)(H,26,27);1H2